CID 203260

Salicylic acid, 4-(2-piperidinoacetamido)-, methyl ester, hydrochloride

Structural Information

Molecular Formula
C15H20N2O4
SMILES
COC(=O)C1=C(C=C(C=C1)NC(=O)CN2CCCCC2)O
InChI
InChI=1S/C15H20N2O4/c1-21-15(20)12-6-5-11(9-13(12)18)16-14(19)10-17-7-3-2-4-8-17/h5-6,9,18H,2-4,7-8,10H2,1H3,(H,16,19)
InChIKey
XRTUOGLYKSSTBV-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-4-[(2-piperidin-1-ylacetyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1423 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14958 167.4
[M+Na]+ 315.13152 170.8
[M-H]- 291.13502 170.4
[M+NH4]+ 310.17612 179.9
[M+K]+ 331.10546 168.5
[M+H-H2O]+ 275.13956 158.9
[M+HCOO]- 337.14050 184.5
[M+CH3COO]- 351.15615 200.8
[M+Na-2H]- 313.11697 168.3
[M]+ 292.14175 164.2
[M]- 292.14285 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.